1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

C12H19N3O2S — CID 106381359

IUPAC1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2csc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2S/c13-8-12(4-2-1-3-5-12)10(16)14-6-9-7-18-11(17)15-9/h7H,1-6,8,13H2,(H,14,16)(H,15,17)
InChIKeyNXOXUUKDZBBNAA-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.96
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 106381359) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID106381359
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2csc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2S/c13-8-12(4-2-1-3-5-12)10(16)14-6-9-7-18-11(17)15-9/h7H,1-6,8,13H2,(H,14,16)(H,15,17)
InChIKeyNXOXUUKDZBBNAA-UHFFFAOYSA-N
XLogP0.96
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 106381359) is 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is NCC1(C(=O)NCc2csc(=O)[nH]2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NXOXUUKDZBBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-8-12(4-2-1-3-5-12)10(16)14-6-9-7-18-11(17)15-9/h7H,1-6,8,13H2,(H,14,16)(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106381359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).